Lot numbers can be found on the outside label of a product:
5-Bromopyrimidin-4(3H)-one
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CAS No. 19808-30-1
- Cat. No. CS-W019838
- Purity≥95%
- MDL No.MFCD00223740
*For research and further manufacturing use only, not for direct human use.
Structure of 19808-30-1
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General Information
- CAS No. 19808-30-1
- Cat. No. CS-W019838
- Purity ≥95%
- MDL No. MFCD00223740
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₃BrN₂O
- Molecular Weight 174.98
- Synonym(s) 4-Pyrimidinol, 5-bromo- ; 5-Bromo-4(3H)-pyrimidinone; 5-Bromo-4-hydroxypyrimidine; 5-Bromopyrimidin-4(1H)-one; 5-Bromopyrimidin-4-ol; 5-Bromo-4(1H)-pyrimidinone
- SMILES O=C1NC=NC=C1Br
Description
5-Bromopyrimidin-4(3H)-one features a bromine substituent at the 5-position of a pyrimidinone core, enabling selective functionalization in synthetic pathways. The carbonyl group at C4 imparts reactivity for nucleophilic substitution, while the electron-deficient ring system facilitates coupling reactions under mild conditions. This bench-stable heterocycle serves as a key intermediate in medicinal chemistry and agrochemical synthesis.
Application
5-Bromopyrimidin-4(3H)-one serves as a versatile building block in medicinal chemistry, enabling site-specific functionalization via cross-coupling reactions. Its bromine substituent facilitates palladium-catalyzed transformations, while the pyrimidinone core provides a stable, hydrogen-bonding scaffold for target engagement. The compound exhibits excellent bench stability and compatibility with diverse reaction conditions, simplifying purification and scale-up.
Synthesis
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Route1
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In-stock
51953-18-5 - ~91%
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In-stock
19808-30-1
References
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Blake, James F.; Boyd, Steven Armen; De Meese, Jason; Fong, Kin Chiu; Gaudino, John J.; Kaplan, Tomas; Marlow, Allison L.; Seo, Jeongbeob; Thomas, Allen A.; Tian, Hongqi; Cohen, Frederick; Young, Wendy B. Patent: US2007/238726 A1, 2007 ; Location in patent: Page/Page column 75 ; US 20070238726 A1
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Route2
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In-stock
19808-30-1
- ~%
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In-stock
19808-30-1
References
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US2013/317024 A1, ; Paragraph 0755; 0756 ;
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Route3
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In-stock
4595-59-9 - ~85%
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In-stock
19808-30-1
References
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Semple, Graeme; Andersson, Britt-Marie; Chhajlani, Vijay; Georgsson, Jennie; Johansson, Magnus J.; Rosenquist, Asa; Swanson, Lars Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 6 p. 1141 - 1145
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 45.75
- LogP 0.5324
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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